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MP-Ala-Ala-PAB

CAT: 0804-HY-148463-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-148463-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MP-Ala-Ala-PAB is a cleavable ADC linker. Fmoc-Ala-Ala-PAB can be used in the synthesis of antibody-drug conjugates (ADCs) [1].
CAS Number
1949793-47-8
UNSPSC
12352203
Target
ADC Linker
Type
ADC Related
Related Pathways
Antibody-drug Conjugate/ADC Related
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mp-ala-ala-pab.html
Purity
98.76
Solubility
DMSO : 350 mg/mL (ultrasonic)
Smiles
OCC(C=C1)=CC=C1NC([C@H](C)NC([C@H](C)NC(CCN2C(C=CC2=O)=O)=O)=O)=O
Molecular Formula
C20H24N4O6
Molecular Weight
416.43
References & Citations
[1]Wayne C Widdison, et al. Development of Anilino-Maytansinoid ADCs that Efficiently Release Cytotoxic Metabolites in Cancer Cells and Induce High Levels of Bystander Killing. Bioconjug Chem. 2015 Nov 18;26 (11) :2261-78.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
ADC Related
Clinical Information
No Development Reported
Isoform
Cleavable Linker

Chemical Information

MP-Ala-Ala-PAB
CAS Number1949793-47-8
PubChem CID121396878
IUPAC Name(2S)-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-N-[(2S)-1-[4-(hydroxymethyl)anilino]-1-oxopropan-2-yl]propanamide
Molecular FormulaC20H24N4O6
Molecular Weight416.4
XLogP-1.1
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity696
SMILES
C[C@@H](C(=O)N[C@@H](C)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCN2C(=O)C=CC2=O
InChI
InChI=1S/C20H24N4O6/c1-12(21-16(26)9-10-24-17(27)7-8-18(24)28)19(29)22-13(2)20(30)23-15-5-3-14(11-25)4-6-15/h3-8,12-13,25H,9-11H2,1-2H3,(H,21,26)(H,22,29)(H,23,30)/t12-,13-/m0/s1
InChIKey
CMKUVUSGEFKDLV-STQMWFEESA-N
Chemical Structure
2D Structure
2D structure of MP-Ala-Ala-PAB
CAS: 1949793-47-8
CID: 121396878
Formula: C20H24N4O6
MW: 416.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.4
XLogP3-1.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass416.16958450
Monoisotopic Mass416.16958450
Topological Polar Surface Area145 Ų
Heavy Atom Count30
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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T87780-01MP-Ala-Ala-PAB
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MBS5824274D-{Ala-Ala-Ala-Ala-Ala}
H-1280.0250H-Ala-Ala-Ala-Ala-Ala-Ala-OH
T87902-01MC-Ala-Ala-Asn-PAB
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